2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid

C10H6F3IN2O2 — CID 71223421

IUPAC2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(I)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C10H6F3IN2O2/c11-10(12,13)5-1-2-7-6(3-5)9(14)15-16(7)4-8(17)18/h1-3H,4H2,(H,17,18)
InChIKeySHXJKPHUMHENQT-UHFFFAOYSA-N
MW370.07 g/mol
LogP2.74
Rot. Bonds2

About 2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid

2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid (PubChem CID 71223421) has the molecular formula C10H6F3IN2O2 and a molecular weight of 370.07 g/mol. Its IUPAC name is 2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid
PubChem CID71223421
Molecular FormulaC10H6F3IN2O2
Molecular Weight370.07 g/mol
Exact Mass369.94
IUPAC Name2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(I)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C10H6F3IN2O2/c11-10(12,13)5-1-2-7-6(3-5)9(14)15-16(7)4-8(17)18/h1-3H,4H2,(H,17,18)
InChIKeySHXJKPHUMHENQT-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.07
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-iodo-5-methylindazol-1-yl)acetic acid
CID 71223562
3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid
CID 21409193
2-(5-fluoro-3-methylindazol-1-yl)acetic acid
CID 84675846
tert-butyl 2-(5-chloro-3-iodoindazol-1-yl)acetate
CID 129217032
2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid
CID 69290578
3-[4-oxo-6-(trifluoromethyl)quinolin-1-yl]propanoic acid
CID 53264281
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-5-fluoroindazol-1-yl]acetic acid
CID 71222559
2-[1-oxo-6-(trifluoromethyl)isoquinolin-2-yl]acetic acid
CID 82063004
2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid
CID 118324897
2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 56771106
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
2-[6-(2-fluoropropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]acetic acid
CID 162364096

Frequently Asked Questions

What is the IUPAC name of 2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid (CID 71223421) is 2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid is O=C(O)Cn1nc(I)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid?
The InChIKey is SHXJKPHUMHENQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3IN2O2/c11-10(12,13)5-1-2-7-6(3-5)9(14)15-16(7)4-8(17)18/h1-3H,4H2,(H,17,18).
What are the key properties of 2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid?
2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid has a molecular weight of 370.07 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid is sourced from PubChem (CID 71223421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).